SCHEMBL86905

SCHEMBL86905

O=C(NC1=Nc2ccccc2C2=NCCN12)C1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
GFER P55789 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM1A O60341 1/20 0.48
RCOR1 Q9UKL0 1/20 0.48
KMT2A Q03164 2/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.47
CTRB1 P17538 1/20 0.47
CTSK P43235 2/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL87066 0.84 NPC1 (0.47) NPSR1L3MBTL1KDM4ELMNAALDH1A1
SCHEMBL87024 0.83 SMN1; SMN2 (0.52) CYP3A4MAPTCYP2C9RAB9A
SCHEMBL86901 0.75 DNMT1 (0.40) TSHRLMNAGFERHSD17B10ALDH1A1
SCHEMBL10154053 0.73 NPSR1 (0.64) NPSR1TSHRL3MBTL1KDM4ELMNA
SCHEMBL7265745 0.73 KDM4E (0.78) NPSR1TSHRL3MBTL1KDM4ELMNA
SCHEMBL7265734 0.73 KDM4E (0.78) NPSR1TSHRL3MBTL1KDM4ELMNA
SCHEMBL82714 0.72 PREP (0.62) NPSR1TSHRL3MBTL1KDM4ELMNA
SCHEMBL630208 0.72 PREP (0.62) NPSR1TSHRL3MBTL1KDM4ELMNA
SCHEMBL630241 0.72 PREP (0.62) NPSR1TSHRL3MBTL1KDM4ELMNA
SCHEMBL844883 0.71 KDM4E (0.69) NPSR1TSHRL3MBTL1KDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
EP-2042504-B1 Fused azole-pyrimidine derivatives BAYER SCHERING PHARMA AG (DE) 2011-06-01 EP disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 US disclosed
EP-2042504-A1 Fused azole-pyrimidine derivatives Bayer HealthCare AG (DE) 2009-04-01 EP disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 NPSR1 2805/4885TSHR 582/4885L3MBTL1 3991/4885
US-20130184270-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE-CONTAINING COMBINATIONS KIT, CSNK2A1, CSNK1A1 NPSR1 499/4885TSHR 3515/4885L3MBTL1 3744/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.